IG0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | O16 | sing | 1.43Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C8 | C2 | sing | 1.54Å | 1.55Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C2 | C21 | sing | 1.52Å | 1.54Å | |
| C2 | C3 | sing | 1.51Å | 1.56Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| O31 | C30 | sing | 1.43Å | 1.43Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | C26 | sing | 1.53Å | 1.53Å | |
| C32 | C24 | sing | 1.51Å | 1.50Å | |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | doub | 1.33Å | 1.31Å | |
| C26 | O27 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.52Å | 1.52Å | |
| C23 | C22 | sing | 1.47Å | 1.37Å | |
| C22 | C18 | doub | 1.33Å | 1.34Å | |
| C5 | C4 | sing | 1.55Å | 1.53Å | |
| C5 | C6 | sing | 1.48Å | 1.52Å | |
| C3 | C18 | sing | 1.50Å | 1.51Å | |
| C3 | C4 | sing | 1.47Å | 1.54Å | |
| C18 | C19 | sing | 1.52Å | 1.50Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å | |
| C1 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.08Å | 1.08Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C3 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H44 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| O16 | H46 | sing | 0.97Å | 0.95Å | |
| O27 | H47 | sing | 0.97Å | 0.95Å | |
| O31 | H48 | sing | 0.97Å | 0.95Å | |
| C6 | H49 | sing | 1.09Å | 1.10Å | |
| C7 | H50 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C14 | C13 | 110.9° | 109.4° |
| C17 | C14 | C15 | 110.8° | 109.5° |
| C17 | C14 | O16 | 107.5° | 109.5° |
| C14 | C17 | H16 | 109.5° | 109.5° |
| C14 | C17 | H17 | 109.5° | 109.4° |
| C14 | C17 | H18 | 109.5° | 109.5° |
| C14 | C13 | C12 | 116.4° | 109.5° |
| C13 | C14 | C15 | 110.6° | 109.5° |
| C13 | C14 | O16 | 108.3° | 109.5° |
| C14 | C13 | H11 | 107.7° | 109.5° |
| C14 | C13 | H12 | 107.7° | 109.5° |
| C13 | C12 | C11 | 111.4° | 109.5° |
| C12 | C13 | H11 | 107.7° | 109.4° |
| C12 | C13 | H12 | 107.7° | 109.5° |
| C13 | C12 | H31 | 109.0° | 109.5° |
| C13 | C12 | H32 | 109.0° | 109.4° |
| C15 | C14 | O16 | 108.5° | 109.5° |
| C14 | C15 | H13 | 109.5° | 109.5° |
| C14 | C15 | H14 | 109.5° | 109.4° |
| C14 | C15 | H15 | 109.4° | 109.5° |
| C14 | O16 | H46 | 109.5° | 114.0° |
| C12 | C11 | C9 | 117.3° | 109.5° |
| C12 | C11 | H29 | 107.4° | 109.5° |
| C12 | C11 | H30 | 107.5° | 109.4° |
| C11 | C12 | H31 | 109.0° | 109.5° |
| C11 | C12 | H32 | 109.0° | 109.5° |
| C11 | C9 | C10 | 111.1° | 109.5° |
| C11 | C9 | C8 | 107.8° | 109.5° |
| C9 | C11 | H29 | 107.5° | 109.5° |
| C9 | C11 | H30 | 107.4° | 109.5° |
| C11 | C9 | H45 | 108.3° | 109.5° |
| C10 | C9 | C8 | 112.8° | 109.4° |
| C9 | C10 | H8 | 109.5° | 109.5° |
| C9 | C10 | H9 | 109.5° | 109.4° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C10 | C9 | H45 | 108.5° | 109.5° |
| C9 | C8 | C2 | 119.3° | 109.4° |
| C9 | C8 | C7 | 114.0° | 109.0° |
| C9 | C8 | H7 | 100.4° | 109.4° |
| C8 | C9 | H45 | 108.3° | 109.5° |
| C1 | C2 | C8 | 109.4° | 107.0° |
| C1 | C2 | C21 | 108.1° | 106.9° |
| C1 | C2 | C3 | 110.3° | 106.5° |
| C2 | C1 | H26 | 109.5° | 109.5° |
| C2 | C1 | H27 | 109.5° | 109.5° |
| C2 | C1 | H28 | 109.5° | 109.5° |
| C2 | C8 | C7 | 117.2° | 109.6° |
| C8 | C2 | C21 | 106.3° | 111.8° |
| C8 | C2 | C3 | 116.3° | 114.0° |
| C2 | C8 | H7 | 100.3° | 109.5° |
| C8 | C7 | C6 | 115.2° | 109.9° |
| C8 | C7 | H6 | 108.1° | 109.4° |
| C7 | C8 | H7 | 100.5° | 109.9° |
| C8 | C7 | H50 | 108.0° | 109.3° |
| C21 | C2 | C3 | 106.1° | 110.2° |
| C2 | C21 | C20 | 113.1° | 109.0° |
| C2 | C21 | H21 | 108.6° | 109.6° |
| C2 | C21 | H22 | 108.6° | 109.5° |
| C2 | C3 | C18 | 109.7° | 110.6° |
| C2 | C3 | C4 | 117.9° | 120.7° |
| C2 | C3 | H41 | 104.5° | 101.9° |
| C21 | C20 | C19 | 112.2° | 110.4° |
| C21 | C20 | H19 | 108.8° | 109.3° |
| C21 | C20 | H20 | 108.8° | 109.2° |
| C20 | C21 | H21 | 108.6° | 109.5° |
| C20 | C21 | H22 | 108.5° | 109.5° |
| O31 | C30 | C28 | 110.0° | 109.5° |
| O31 | C30 | C32 | 105.0° | 109.5° |
| O31 | C30 | H42 | 111.6° | 109.5° |
| C30 | O31 | H48 | 109.5° | 114.0° |
| C29 | C28 | C30 | 111.8° | 109.4° |
| C29 | C28 | C26 | 111.4° | 109.3° |
| C29 | C28 | H25 | 107.7° | 109.4° |
| C28 | C29 | H38 | 109.5° | 109.5° |
| C28 | C29 | H39 | 109.5° | 109.4° |
| C28 | C29 | H40 | 109.5° | 109.5° |
| C30 | C28 | C26 | 110.3° | 109.7° |
| C28 | C30 | C32 | 109.6° | 109.4° |
| C30 | C28 | H25 | 107.7° | 109.4° |
| C28 | C30 | H42 | 110.2° | 109.5° |
| C28 | C26 | C25 | 112.4° | 109.4° |
| C28 | C26 | O27 | 110.8° | 109.5° |
| C28 | C26 | H24 | 107.6° | 109.5° |
| C26 | C28 | H25 | 107.7° | 109.7° |
| C24 | C32 | C30 | 111.9° | 108.5° |
| C32 | C24 | C25 | 117.5° | 118.3° |
| C32 | C24 | C23 | 120.9° | 120.8° |
| C24 | C32 | H43 | 108.9° | 109.6° |
| C24 | C32 | H44 | 108.8° | 109.6° |
| C32 | C30 | H42 | 110.3° | 109.5° |
| C30 | C32 | H43 | 108.8° | 109.6° |
| C30 | C32 | H44 | 108.8° | 109.6° |
| C20 | C19 | C18 | 111.4° | 109.1° |
| C19 | C20 | H19 | 108.8° | 109.3° |
| C19 | C20 | H20 | 108.8° | 109.4° |
| C20 | C19 | H33 | 109.0° | 109.5° |
| C20 | C19 | H34 | 109.0° | 109.5° |
| C24 | C25 | C26 | 117.5° | 108.5° |
| C25 | C24 | C23 | 121.4° | 120.8° |
| C24 | C25 | H36 | 107.4° | 109.6° |
| C24 | C25 | H37 | 107.4° | 109.7° |
| C25 | C26 | O27 | 109.2° | 109.4° |
| C25 | C26 | H24 | 107.7° | 109.5° |
| C26 | C25 | H36 | 107.4° | 109.6° |
| C26 | C25 | H37 | 107.4° | 109.6° |
| C24 | C23 | C22 | 125.9° | 120.0° |
| C24 | C23 | H35 | 117.1° | 120.0° |
| O27 | C26 | H24 | 109.0° | 109.5° |
| C26 | O27 | H47 | 109.5° | 114.0° |
| C7 | C6 | C5 | 115.2° | 115.1° |
| C7 | C6 | H5 | 108.0° | 108.4° |
| C6 | C7 | H6 | 108.0° | 109.4° |
| C7 | C6 | H49 | 108.0° | 108.2° |
| C6 | C7 | H50 | 108.0° | 109.4° |
| C23 | C22 | C18 | 125.4° | 120.0° |
| C23 | C22 | H23 | 117.3° | 120.0° |
| C22 | C23 | H35 | 117.1° | 120.0° |
| C22 | C18 | C3 | 123.6° | 121.6° |
| C22 | C18 | C19 | 125.6° | 121.5° |
| C18 | C22 | H23 | 117.3° | 119.9° |
| C4 | C5 | C6 | 116.6° | 109.1° |
| C5 | C4 | C3 | 116.5° | 111.3° |
| C5 | C4 | H1 | 107.7° | 109.1° |
| C5 | C4 | H2 | 107.7° | 109.1° |
| C4 | C5 | H3 | 107.7° | 109.6° |
| C4 | C5 | H4 | 107.6° | 109.5° |
| C6 | C5 | H3 | 107.7° | 109.5° |
| C6 | C5 | H4 | 107.7° | 109.5° |
| C5 | C6 | H5 | 108.0° | 108.4° |
| C5 | C6 | H49 | 108.0° | 108.3° |
| C18 | C3 | C4 | 113.7° | 116.6° |
| C3 | C18 | C19 | 110.7° | 116.9° |
| C18 | C3 | H41 | 104.9° | 101.4° |
| C3 | C4 | H1 | 107.7° | 109.1° |
| C3 | C4 | H2 | 107.7° | 109.1° |
| C4 | C3 | H41 | 104.7° | 101.8° |
| C18 | C19 | H33 | 109.0° | 109.6° |
| C18 | C19 | H34 | 109.0° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.1° |
| H3 | C5 | H4 | 109.5° | 109.6° |
| H5 | C6 | H49 | 109.5° | 108.3° |
| H6 | C7 | H50 | 109.5° | 109.4° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H8 | C10 | H10 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.4° | 109.5° |
| H13 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H16 | C17 | H18 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.4° | 109.5° |
| H19 | C20 | H20 | 109.4° | 109.3° |
| H21 | C21 | H22 | 109.5° | 109.6° |
| H26 | C1 | H27 | 109.4° | 109.4° |
| H26 | C1 | H28 | 109.5° | 109.4° |
| H27 | C1 | H28 | 109.5° | 109.5° |
| H29 | C11 | H30 | 109.5° | 109.5° |
| H31 | C12 | H32 | 109.5° | 109.5° |
| H33 | C19 | H34 | 109.5° | 109.6° |
| H36 | C25 | H37 | 109.5° | 109.8° |
| H38 | C29 | H39 | 109.5° | 109.5° |
| H38 | C29 | H40 | 109.5° | 109.5° |
| H39 | C29 | H40 | 109.5° | 109.4° |
| H43 | C32 | H44 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C14 | C13 | C15 | 123.4° | 120.0° |
| C17 | C14 | C13 | O16 | 117.8° | 120.0° |
| C17 | C14 | C13 | C12 | 121.5° | 55.0° |
| C17 | C14 | C15 | O16 | 117.9° | 120.0° |
| C17 | C14 | C13 | H11 | 117.5° | 175.0° |
| C17 | C14 | C13 | H12 | 0.5° | 65.1° |
| C17 | C14 | C15 | H13 | 180.0° | 60.0° |
| C17 | C14 | C15 | H14 | 60.0° | 60.0° |
| C17 | C14 | C15 | H15 | 60.0° | 180.0° |
| C14 | C17 | H16 | H17 | 120.0° | 119.9° |
| C14 | C17 | H16 | H18 | 120.0° | 120.0° |
| C14 | C17 | H17 | H18 | 120.0° | 119.9° |
| C17 | C14 | O16 | H46 | 180.0° | 179.9° |
| C14 | C13 | C12 | H11 | 121.0° | 120.0° |
| C14 | C13 | C12 | H12 | 121.0° | 120.0° |
| C13 | C14 | C15 | O16 | 118.7° | 120.0° |
| C14 | C13 | C12 | C11 | 122.1° | 180.0° |
| C14 | C13 | H11 | H12 | 116.8° | 120.0° |
| C13 | C14 | C15 | H13 | 56.6° | 60.0° |
| C13 | C14 | C15 | H14 | 176.6° | 180.0° |
| C13 | C14 | C15 | H15 | 63.4° | 60.0° |
| C13 | C14 | C17 | H16 | 180.0° | 60.0° |
| C13 | C14 | C17 | H17 | 60.0° | 180.0° |
| C13 | C14 | C17 | H18 | 60.0° | 60.0° |
| C14 | C13 | C12 | H31 | 117.6° | 60.0° |
| C14 | C13 | C12 | H32 | 1.8° | 60.0° |
| C13 | C14 | O16 | H46 | 60.1° | 60.0° |
| C12 | C13 | C14 | C15 | 115.1° | 175.0° |
| C12 | C13 | C14 | O16 | 3.8° | 65.0° |
| C13 | C12 | C11 | H31 | 120.3° | 120.0° |
| C13 | C12 | C11 | H32 | 120.3° | 120.0° |
| C13 | C12 | C11 | C9 | 174.1° | 180.0° |
| C12 | C13 | H11 | H12 | 116.8° | 120.0° |
| C13 | C12 | C11 | H29 | 64.7° | 60.0° |
| C13 | C12 | C11 | H30 | 53.0° | 60.0° |
| C13 | C12 | H31 | H32 | 119.1° | 120.0° |
| C15 | C14 | C13 | H11 | 5.9° | 65.0° |
| C15 | C14 | C13 | H12 | 123.9° | 55.0° |
| C14 | C15 | H13 | H14 | 120.0° | 120.0° |
| C14 | C15 | H13 | H15 | 120.0° | 120.0° |
| C14 | C15 | H14 | H15 | 120.0° | 120.0° |
| C15 | C14 | C17 | H16 | 56.7° | 180.0° |
| C15 | C14 | C17 | H17 | 176.7° | 60.0° |
| C15 | C14 | C17 | H18 | 63.3° | 60.0° |
| C15 | C14 | O16 | H46 | 60.0° | 60.0° |
| O16 | C14 | C13 | H11 | 124.8° | 55.0° |
| O16 | C14 | C13 | H12 | 117.3° | 175.0° |
| O16 | C14 | C15 | H13 | 62.1° | 180.0° |
| O16 | C14 | C15 | H14 | 57.9° | 60.0° |
| O16 | C14 | C15 | H15 | 177.9° | 60.0° |
| O16 | C14 | C17 | H16 | 61.8° | 60.0° |
| O16 | C14 | C17 | H17 | 58.2° | 60.0° |
| O16 | C14 | C17 | H18 | 178.2° | 180.0° |
| C12 | C11 | C9 | H29 | 121.1° | 120.0° |
| C12 | C11 | C9 | H30 | 121.1° | 120.0° |
| C12 | C11 | C9 | C10 | 19.1° | 46.6° |
| C12 | C11 | C9 | C8 | 143.2° | 166.6° |
| C11 | C12 | C13 | H11 | 1.1° | 60.0° |
| C11 | C12 | C13 | H12 | 116.9° | 60.0° |
| C12 | C11 | H29 | H30 | 116.5° | 119.9° |
| C11 | C12 | H31 | H32 | 119.1° | 120.0° |
| C12 | C11 | C9 | H45 | 99.9° | 73.4° |
| C11 | C9 | C10 | C8 | 121.2° | 120.0° |
| C11 | C9 | C10 | H45 | 118.9° | 120.0° |
| C11 | C9 | C8 | H45 | 116.9° | 120.0° |
| C11 | C9 | C8 | C2 | 109.0° | 64.8° |
| C11 | C9 | C8 | C7 | 105.7° | 175.4° |
| C11 | C9 | C8 | H7 | 0.8° | 55.1° |
| C11 | C9 | C10 | H8 | 180.0° | 173.4° |
| C11 | C9 | C10 | H9 | 60.0° | 53.4° |
| C11 | C9 | C10 | H10 | 60.0° | 66.6° |
| C9 | C11 | H29 | H30 | 116.4° | 120.0° |
| C9 | C11 | C12 | H31 | 53.8° | 60.0° |
| C9 | C11 | C12 | H32 | 65.6° | 60.0° |
| C10 | C9 | C8 | H45 | 120.1° | 120.0° |
| C10 | C9 | C8 | C2 | 128.0° | 175.2° |
| C10 | C9 | C8 | C7 | 17.3° | 55.4° |
| C10 | C9 | C8 | H7 | 123.8° | 64.9° |
| C9 | C10 | H8 | H9 | 120.0° | 120.0° |
| C9 | C10 | H8 | H10 | 120.0° | 120.1° |
| C9 | C10 | H9 | H10 | 120.0° | 120.0° |
| C10 | C9 | C11 | H29 | 102.0° | 73.4° |
| C10 | C9 | C11 | H30 | 140.3° | 166.6° |
| C9 | C8 | C2 | C1 | 56.6° | 81.0° |
| C9 | C8 | C2 | C7 | 144.2° | 119.4° |
| C9 | C8 | C2 | H7 | 108.2° | 119.9° |
| C9 | C8 | C7 | H7 | 106.5° | 119.9° |
| C9 | C8 | C2 | C21 | 59.9° | 35.7° |
| C9 | C8 | C2 | C3 | 177.7° | 161.5° |
| C9 | C8 | C7 | C6 | 142.3° | 148.3° |
| C9 | C8 | C7 | H6 | 96.9° | 28.2° |
| C8 | C9 | C10 | H8 | 58.9° | 66.6° |
| C8 | C9 | C10 | H9 | 178.9° | 173.4° |
| C8 | C9 | C10 | H10 | 61.2° | 53.4° |
| C8 | C9 | C11 | H29 | 22.1° | 46.6° |
| C8 | C9 | C11 | H30 | 95.7° | 73.5° |
| C9 | C8 | C7 | H50 | 21.5° | 91.6° |
| C1 | C2 | C8 | C21 | 116.4° | 116.7° |
| C1 | C2 | C8 | C3 | 125.8° | 117.5° |
| C1 | C2 | C8 | C7 | 159.2° | 159.5° |
| C1 | C2 | C21 | C3 | 118.4° | 115.3° |
| C1 | C2 | C21 | C20 | 61.5° | 53.3° |
| C1 | C2 | C3 | C18 | 54.6° | 60.7° |
| C1 | C2 | C3 | C4 | 77.7° | 80.5° |
| C1 | C2 | C8 | H7 | 51.7° | 38.9° |
| C1 | C2 | C21 | H21 | 59.0° | 173.2° |
| C1 | C2 | C21 | H22 | 178.0° | 66.5° |
| C2 | C1 | H26 | H27 | 120.0° | 120.0° |
| C2 | C1 | H26 | H28 | 120.0° | 120.0° |
| C2 | C1 | H27 | H28 | 120.0° | 120.1° |
| C1 | C2 | C3 | H41 | 166.7° | 167.9° |
| C2 | C8 | C7 | H7 | 107.5° | 120.4° |
| C8 | C2 | C21 | C3 | 124.3° | 127.9° |
| C8 | C2 | C21 | C20 | 178.8° | 170.1° |
| C2 | C8 | C7 | C6 | 71.7° | 92.0° |
| C8 | C2 | C3 | C18 | 179.9° | 178.5° |
| C8 | C2 | C3 | C4 | 47.6° | 37.2° |
| C2 | C8 | C7 | H6 | 49.2° | 147.9° |
| C8 | C2 | C21 | H21 | 58.3° | 70.1° |
| C8 | C2 | C21 | H22 | 60.7° | 50.2° |
| C8 | C2 | C1 | H26 | 180.0° | 80.5° |
| C8 | C2 | C1 | H27 | 60.0° | 159.5° |
| C8 | C2 | C1 | H28 | 60.0° | 39.4° |
| C8 | C2 | C3 | H41 | 68.0° | 74.3° |
| C2 | C8 | C9 | H45 | 7.9° | 55.2° |
| C2 | C8 | C7 | H50 | 167.5° | 28.1° |
| C7 | C8 | C2 | C21 | 84.3° | 83.8° |
| C7 | C8 | C2 | C3 | 33.4° | 42.1° |
| C8 | C7 | C6 | H6 | 120.9° | 120.1° |
| C8 | C7 | C6 | H50 | 120.8° | 120.0° |
| C8 | C7 | C6 | C5 | 3.3° | 85.4° |
| C8 | C7 | C6 | H5 | 124.2° | 36.2° |
| C8 | C7 | H6 | H50 | 117.4° | 119.8° |
| C7 | C8 | C9 | H45 | 137.4° | 64.6° |
| C8 | C7 | C6 | H49 | 117.5° | 153.4° |
| C2 | C21 | C20 | H21 | 120.5° | 119.9° |
| C2 | C21 | C20 | H22 | 120.5° | 119.8° |
| C2 | C21 | C20 | C19 | 52.1° | 62.1° |
| C21 | C2 | C3 | C18 | 62.2° | 54.9° |
| C21 | C2 | C3 | C4 | 165.5° | 163.9° |
| C21 | C2 | C8 | H7 | 168.1° | 155.6° |
| C2 | C21 | C20 | H19 | 68.3° | 58.1° |
| C2 | C21 | C20 | H20 | 172.5° | 177.6° |
| C2 | C21 | H21 | H22 | 118.4° | 120.3° |
| C21 | C2 | C1 | H26 | 64.7° | 39.4° |
| C21 | C2 | C1 | H27 | 175.3° | 80.6° |
| C21 | C2 | C1 | H28 | 55.3° | 159.3° |
| C21 | C2 | C3 | H41 | 49.9° | 52.3° |
| C3 | C2 | C21 | C20 | 56.9° | 62.1° |
| C2 | C3 | C18 | C22 | 112.4° | 129.6° |
| C2 | C3 | C4 | C5 | 42.2° | 88.3° |
| C2 | C3 | C18 | C4 | 134.4° | 143.0° |
| C2 | C3 | C18 | H41 | 111.7° | 107.5° |
| C2 | C3 | C4 | H41 | 115.5° | 111.6° |
| C2 | C3 | C18 | C19 | 63.8° | 50.3° |
| C2 | C3 | C4 | H1 | 163.2° | 151.2° |
| C2 | C3 | C4 | H2 | 78.8° | 32.1° |
| C3 | C2 | C8 | H7 | 74.1° | 78.6° |
| C3 | C2 | C21 | H21 | 177.4° | 57.8° |
| C3 | C2 | C21 | H22 | 63.7° | 178.1° |
| C3 | C2 | C1 | H26 | 50.9° | 157.2° |
| C3 | C2 | C1 | H27 | 69.1° | 37.2° |
| C3 | C2 | C1 | H28 | 170.9° | 82.8° |
| C21 | C20 | C19 | H19 | 120.4° | 120.2° |
| C21 | C20 | C19 | H20 | 120.4° | 120.2° |
| C21 | C20 | C19 | C18 | 49.9° | 54.1° |
| C21 | C20 | H19 | H20 | 118.8° | 119.4° |
| C20 | C21 | H21 | H22 | 118.3° | 120.2° |
| C21 | C20 | C19 | H33 | 170.2° | 174.1° |
| C21 | C20 | C19 | H34 | 70.4° | 65.7° |
| O31 | C30 | C28 | C29 | 55.9° | 56.3° |
| O31 | C30 | C28 | C32 | 115.0° | 120.0° |
| O31 | C30 | C28 | H42 | 123.5° | 120.1° |
| O31 | C30 | C28 | C26 | 179.6° | 176.1° |
| O31 | C30 | C32 | C24 | 175.5° | 174.7° |
| O31 | C30 | C32 | H42 | 120.4° | 120.0° |
| O31 | C30 | C28 | H25 | 62.3° | 63.5° |
| O31 | C30 | C32 | H43 | 64.2° | 65.6° |
| O31 | C30 | C32 | H44 | 55.1° | 55.0° |
| C29 | C28 | C30 | C26 | 124.5° | 119.8° |
| C29 | C28 | C30 | H25 | 118.2° | 119.8° |
| C29 | C28 | C26 | H25 | 117.9° | 119.9° |
| C29 | C28 | C30 | C32 | 170.8° | 176.3° |
| C29 | C28 | C26 | C25 | 177.0° | 176.3° |
| C29 | C28 | C26 | O27 | 54.5° | 63.8° |
| C29 | C28 | C26 | H24 | 64.5° | 56.2° |
| C28 | C29 | H38 | H39 | 120.0° | 120.0° |
| C28 | C29 | H38 | H40 | 120.0° | 120.0° |
| C28 | C29 | H39 | H40 | 120.0° | 119.9° |
| C29 | C28 | C30 | H42 | 67.6° | 63.8° |
| C30 | C28 | C26 | H25 | 117.3° | 120.2° |
| C28 | C30 | C32 | C24 | 57.4° | 54.7° |
| C28 | C30 | C32 | H42 | 121.5° | 120.0° |
| C30 | C28 | C26 | C25 | 52.3° | 63.8° |
| C30 | C28 | C26 | O27 | 70.2° | 56.1° |
| C30 | C28 | C26 | H24 | 170.7° | 176.1° |
| C30 | C28 | C29 | H38 | 180.0° | 60.0° |
| C30 | C28 | C29 | H39 | 60.0° | 180.0° |
| C30 | C28 | C29 | H40 | 60.0° | 60.1° |
| C28 | C30 | C32 | H43 | 177.8° | 174.4° |
| C28 | C30 | C32 | H44 | 63.0° | 65.0° |
| C28 | C30 | O31 | H48 | 180.0° | 180.0° |
| C26 | C28 | C30 | C32 | 64.7° | 63.9° |
| C28 | C26 | C25 | C24 | 34.6° | 54.6° |
| C28 | C26 | C25 | O27 | 123.4° | 119.9° |
| C28 | C26 | C25 | H24 | 118.4° | 120.0° |
| C28 | C26 | O27 | H24 | 118.2° | 120.1° |
| C28 | C26 | C25 | H36 | 86.6° | 65.1° |
| C28 | C26 | C25 | H37 | 155.7° | 174.3° |
| C26 | C28 | C29 | H38 | 56.1° | 179.9° |
| C26 | C28 | C29 | H39 | 63.9° | 59.9° |
| C26 | C28 | C29 | H40 | 176.1° | 60.0° |
| C26 | C28 | C30 | H42 | 56.9° | 56.1° |
| C28 | C26 | O27 | H47 | 180.0° | 180.0° |
| C24 | C32 | C30 | H43 | 120.4° | 119.7° |
| C24 | C32 | C30 | H44 | 120.4° | 119.7° |
| C32 | C24 | C25 | C23 | 175.8° | 179.8° |
| C32 | C24 | C25 | C26 | 28.8° | 51.1° |
| C32 | C24 | C23 | C22 | 0.6° | 3.8° |
| C32 | C24 | C23 | H35 | 179.4° | 176.3° |
| C32 | C24 | C25 | H36 | 92.4° | 68.5° |
| C32 | C24 | C25 | H37 | 150.0° | 170.8° |
| C24 | C32 | C30 | H42 | 64.1° | 65.2° |
| C24 | C32 | H43 | H44 | 118.9° | 120.5° |
| C30 | C32 | C24 | C25 | 39.8° | 51.1° |
| C30 | C32 | C24 | C23 | 144.4° | 128.7° |
| C32 | C30 | C28 | H25 | 52.6° | 56.5° |
| C30 | C32 | H43 | H44 | 118.9° | 120.5° |
| C32 | C30 | O31 | H48 | 62.2° | 60.0° |
| C20 | C19 | C18 | C22 | 119.8° | 130.3° |
| C20 | C19 | C18 | C3 | 56.3° | 49.6° |
| C20 | C19 | C18 | H33 | 120.3° | 119.9° |
| C20 | C19 | C18 | H34 | 120.3° | 119.8° |
| C19 | C20 | H19 | H20 | 118.7° | 119.7° |
| C19 | C20 | C21 | H21 | 172.6° | 57.8° |
| C19 | C20 | C21 | H22 | 68.4° | 178.1° |
| C20 | C19 | H33 | H34 | 119.1° | 120.2° |
| C24 | C25 | C26 | H36 | 121.2° | 119.7° |
| C24 | C25 | C26 | H37 | 121.2° | 119.7° |
| C24 | C25 | C26 | O27 | 88.9° | 65.3° |
| C25 | C24 | C23 | C22 | 176.3° | 176.0° |
| C24 | C25 | C26 | H24 | 153.0° | 174.6° |
| C25 | C24 | C23 | H35 | 3.7° | 3.9° |
| C24 | C25 | H36 | H37 | 116.3° | 120.6° |
| C25 | C24 | C32 | H43 | 160.1° | 170.8° |
| C25 | C24 | C32 | H44 | 80.6° | 68.6° |
| C26 | C25 | C24 | C23 | 155.4° | 128.7° |
| C25 | C26 | O27 | H24 | 117.4° | 120.1° |
| C25 | C26 | C28 | H25 | 65.0° | 56.4° |
| C26 | C25 | H36 | H37 | 116.3° | 120.5° |
| C25 | C26 | O27 | H47 | 55.6° | 60.1° |
| C24 | C23 | C22 | H35 | 180.0° | 180.0° |
| C24 | C23 | C22 | C18 | 171.5° | 174.8° |
| C24 | C23 | C22 | H23 | 8.5° | 5.2° |
| C23 | C24 | C25 | H36 | 83.4° | 111.6° |
| C23 | C24 | C25 | H37 | 34.2° | 9.0° |
| C23 | C24 | C32 | H43 | 24.0° | 9.0° |
| C23 | C24 | C32 | H44 | 95.3° | 111.6° |
| O27 | C26 | C28 | H25 | 172.4° | 176.3° |
| O27 | C26 | C25 | H36 | 150.0° | 175.0° |
| O27 | C26 | C25 | H37 | 32.3° | 54.4° |
| C7 | C6 | C5 | C4 | 72.5° | 63.2° |
| C7 | C6 | C5 | H5 | 120.8° | 121.5° |
| C7 | C6 | C5 | H49 | 120.8° | 121.2° |
| C7 | C6 | C5 | H3 | 48.6° | 176.9° |
| C7 | C6 | C5 | H4 | 166.5° | 56.6° |
| C7 | C6 | H5 | H49 | 117.4° | 117.1° |
| C6 | C7 | H6 | H50 | 117.3° | 119.8° |
| C6 | C7 | C8 | H7 | 35.8° | 28.4° |
| C23 | C22 | C18 | H23 | 180.0° | 180.0° |
| C23 | C22 | C18 | C3 | 174.0° | 173.5° |
| C23 | C22 | C18 | C19 | 1.6° | 6.5° |
| C22 | C18 | C3 | C19 | 176.2° | 180.0° |
| C22 | C18 | C3 | C4 | 22.0° | 13.4° |
| C22 | C18 | C19 | H33 | 0.5° | 10.5° |
| C22 | C18 | C19 | H34 | 119.9° | 109.8° |
| C18 | C22 | C23 | H35 | 8.5° | 5.2° |
| C22 | C18 | C3 | H41 | 135.9° | 122.9° |
| C4 | C5 | C6 | H3 | 121.0° | 119.9° |
| C4 | C5 | C6 | H4 | 121.0° | 119.9° |
| C5 | C4 | C3 | C18 | 172.7° | 132.6° |
| C5 | C4 | C3 | H1 | 121.0° | 120.4° |
| C5 | C4 | C3 | H2 | 121.0° | 120.5° |
| C5 | C4 | H1 | H2 | 116.8° | 119.1° |
| C4 | C5 | H3 | H4 | 116.8° | 120.2° |
| C4 | C5 | C6 | H5 | 48.4° | 58.3° |
| C5 | C4 | C3 | H41 | 73.3° | 23.3° |
| C4 | C5 | C6 | H49 | 166.7° | 175.6° |
| C6 | C5 | C4 | C3 | 42.9° | 73.0° |
| C6 | C5 | C4 | H1 | 78.1° | 166.6° |
| C6 | C5 | C4 | H2 | 163.9° | 47.5° |
| C6 | C5 | H3 | H4 | 116.8° | 120.2° |
| C5 | C6 | H5 | H49 | 117.4° | 117.3° |
| C5 | C6 | C7 | H6 | 117.5° | 154.5° |
| C5 | C6 | C7 | H50 | 124.2° | 34.7° |
| C18 | C3 | C4 | H41 | 114.0° | 109.3° |
| C18 | C3 | C4 | H1 | 66.3° | 12.2° |
| C18 | C3 | C4 | H2 | 51.7° | 106.9° |
| C3 | C18 | C22 | H23 | 6.0° | 6.5° |
| C3 | C18 | C19 | H33 | 176.6° | 169.5° |
| C3 | C18 | C19 | H34 | 64.0° | 70.2° |
| C4 | C3 | C18 | C19 | 161.8° | 166.7° |
| C3 | C4 | H1 | H2 | 116.9° | 119.1° |
| C3 | C4 | C5 | H3 | 78.1° | 167.2° |
| C3 | C4 | C5 | H4 | 163.9° | 46.9° |
| C18 | C19 | C20 | H19 | 70.5° | 66.1° |
| C18 | C19 | C20 | H20 | 170.4° | 174.3° |
| C19 | C18 | C22 | H23 | 178.4° | 173.4° |
| C18 | C19 | H33 | H34 | 119.1° | 120.2° |
| C19 | C18 | C3 | H41 | 48.0° | 57.1° |
| H1 | C4 | C5 | H3 | 160.8° | 46.7° |
| H1 | C4 | C5 | H4 | 42.9° | 73.6° |
| H1 | C4 | C3 | H41 | 47.6° | 97.1° |
| H2 | C4 | C5 | H3 | 42.9° | 72.3° |
| H2 | C4 | C5 | H4 | 75.1° | 167.4° |
| H2 | C4 | C3 | H41 | 165.7° | 143.8° |
| H3 | C5 | C6 | H5 | 169.4° | 61.6° |
| H3 | C5 | C6 | H49 | 72.3° | 55.7° |
| H4 | C5 | C6 | H5 | 72.7° | 178.2° |
| H4 | C5 | C6 | H49 | 45.7° | 64.6° |
| H5 | C6 | C7 | H6 | 3.3° | 84.0° |
| H5 | C6 | C7 | H50 | 115.0° | 156.2° |
| H6 | C7 | C8 | H7 | 156.6° | 91.8° |
| H6 | C7 | C6 | H49 | 121.7° | 33.2° |
| H7 | C8 | C9 | H45 | 116.1° | 175.1° |
| H7 | C8 | C7 | H50 | 85.0° | 148.4° |
| H8 | C10 | H9 | H10 | 120.0° | 120.0° |
| H8 | C10 | C9 | H45 | 61.1° | 53.4° |
| H9 | C10 | C9 | H45 | 58.9° | 66.6° |
| H10 | C10 | C9 | H45 | 178.9° | 173.4° |
| H11 | C13 | C12 | H31 | 121.4° | 60.0° |
| H11 | C13 | C12 | H32 | 119.2° | NaN° |
| H12 | C13 | C12 | H31 | 3.4° | 180.0° |
| H12 | C13 | C12 | H32 | 122.8° | 60.0° |
| H13 | C15 | H14 | H15 | 120.0° | 120.0° |
| H16 | C17 | H17 | H18 | 120.0° | 120.1° |
| H19 | C20 | C21 | H21 | 52.2° | 178.1° |
| H19 | C20 | C21 | H22 | 171.1° | 61.7° |
| H19 | C20 | C19 | H33 | 49.8° | 53.9° |
| H19 | C20 | C19 | H34 | 169.2° | 174.1° |
| H20 | C20 | C21 | H21 | 66.9° | 62.5° |
| H20 | C20 | C21 | H22 | 52.0° | 57.8° |
| H20 | C20 | C19 | H33 | 69.4° | 65.7° |
| H20 | C20 | C19 | H34 | 50.1° | 54.5° |
| H23 | C22 | C23 | H35 | 171.5° | 174.8° |
| H24 | C26 | C28 | H25 | 53.4° | 63.6° |
| H24 | C26 | C25 | H36 | 31.8° | 54.9° |
| H24 | C26 | C25 | H37 | 85.9° | 65.7° |
| H24 | C26 | O27 | H47 | 61.8° | 59.9° |
| H25 | C28 | C29 | H38 | 61.8° | 59.8° |
| H25 | C28 | C29 | H39 | 178.2° | 60.2° |
| H25 | C28 | C29 | H40 | 58.2° | 179.9° |
| H25 | C28 | C30 | H42 | 174.2° | 176.5° |
| H26 | C1 | H27 | H28 | 120.0° | 119.9° |
| H29 | C11 | C12 | H31 | 175.0° | 180.0° |
| H29 | C11 | C12 | H32 | 55.6° | 60.0° |
| H29 | C11 | C9 | H45 | 139.0° | 166.6° |
| H30 | C11 | C12 | H31 | 67.3° | 60.0° |
| H30 | C11 | C12 | H32 | 173.3° | 180.0° |
| H30 | C11 | C9 | H45 | 21.3° | 46.5° |
| H38 | C29 | H39 | H40 | 120.0° | 120.0° |
| H42 | C30 | C32 | H43 | 56.3° | 54.5° |
| H42 | C30 | C32 | H44 | 175.5° | 175.0° |
| H42 | C30 | O31 | H48 | 57.4° | 60.0° |
| H49 | C6 | C7 | H50 | 3.4° | 86.6° |
